SCHEMBL168138

SCHEMBL168138

CCCCCCCCc1cn2ncnc2nc1CC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.33
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
LIPG Q9Y5X9 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3476328 0.91 GAA (0.36) GAAHTTSMN1; SMN2KCNH2CYP2C19
SCHEMBL3646931 0.81 GAA (0.39) GAAHTTSMN1; SMN2KCNH2CYP2C19
SCHEMBL460099 0.73 L3MBTL1 (0.37) GAAHTTSMN1; SMN2ATM
SCHEMBL23510052 0.71 GAA (0.35) GAAHTTSMN1; SMN2CYP2C19ATM
SCHEMBL2470414 0.70 GAA (0.35) GAAHTTSMN1; SMN2KCNH2ATM
SCHEMBL3121971 0.69 GAA (0.45) GAAHTTSMN1; SMN2ATM
SCHEMBL3125386 0.69 GAA (0.45) GAAHTTSMN1; SMN2ATM
SCHEMBL3135629 0.69 GAA (0.45) GAAHTTSMN1; SMN2ATM
SCHEMBL174682 0.69 GAA (0.45) GAAHTTSMN1; SMN2ATM
SCHEMBL3132086 0.69 GAA (0.45) GAAHTTSMN1; SMN2ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020206518-A1 MULTIPURPOSE BIOLOGICAL COMPOSITIONS AGRIVALLE BRASIL INDUSTRIA E COMÉRCIO DE PRODUTOS AGRÍCOLAS LTDA (BR) 2020-10-15 WO claimed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP claimed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO claimed
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO claimed
US-20100093715-A1 Plant productivity enhancement by combining chemical agents with transgenic modifications BASF SE (DE) 2010-04-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100093715-A1 Plant productivity enhancement by combining chemical agents with transgenic modifications CBR3, MYB, HACL2 GAA 703/4885HTT 2649/4885SMN1; SMN2 4806/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.